CID 155652

71473-31-9

Structural Information

Molecular Formula
C13H11Cl2O2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H11Cl2O2PS/c1-16-18(19,10-6-3-2-4-7-10)17-13-11(14)8-5-9-12(13)15/h2-9H,1H3
InChIKey
ONUDDLZGZVXTPU-UHFFFAOYSA-N
Compound name
(2,6-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.95944 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.96672 163.9
[M+Na]+ 354.94866 174.1
[M-H]- 330.95216 170.1
[M+NH4]+ 349.99326 180.7
[M+K]+ 370.92260 167.8
[M+H-H2O]+ 314.95670 156.5
[M+HCOO]- 376.95764 178.6
[M+CH3COO]- 390.97329 203.6
[M+Na-2H]- 352.93411 164.6
[M]+ 331.95889 171.5
[M]- 331.95999 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.